4-{4-[(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{4-[(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
4-{4-[(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8016-0034 |
| Compound Name: | 4-{4-[(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 540.48 |
| Molecular Formula: | C24 H15 F3 N6 O4 S |
| Smiles: | Cc1c(\C=C2/C(C(F)(F)F)=NN(C2=O)c2ccc(cc2)S(N)(=O)=O)c(n2c3ccccc3nc2c1C#N)O |
| Stereo: | ACHIRAL |
| logP: | 2.6173 |
| logD: | -1.4475 |
| logSw: | -3.0729 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.318 |
| InChI Key: | LWJAJJRINQPGPJ-UHFFFAOYSA-N |